Spectroscopic Quantification of the Inverted Singlet–Triplet Gap in Pentaazaphenalene
Wilson K, Styers W, Wood S, Woods R, McMahon R, Liu Z, Yang Y, Garand E. Spectroscopic Quantification of the Inverted Singlet–Triplet Gap in Pentaazaphenalene. Journal Of The American Chemical Society 2024, 146: 15688-15692. PMID: 38815061, DOI: 10.1021/jacs.4c05043.Peer-Reviewed Original ResearchSinglet-triplet gapComputational electronic structure methodsInverted singlet-triplet gapAnion photoelectron spectroscopyExcited singlet stateDouble excitation characterElectronic structure methodsHund's multiplicity ruleVisible absorption spectroscopySpectroscopic quantificationArgon matrixLowest singletTriplet stateOrganic chromophoresSinglet stateExcitation characterAbsorption spectroscopyElectronic statesPhotoelectron spectroscopyStructure methodsSpectroscopyAccurate quantificationChromophoreSingletQuantification
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